Materials Data on SiGeN2O by Materials Project

Abstract

SiGeN2O crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ge4+ is bonded to three N3- and one O2- atom to form GeN3O tetrahedra that share corners with three equivalent GeN3O tetrahedra and corners with four equivalent SiN3O tetrahedra. There is two shorter (1.84 Å) and one longer (1.85 Å) Ge–N bond length. The Ge–O bond length is 1.78 Å. Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share corners with three equivalent SiN3O tetrahedra and corners with four equivalent GeN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.75 Å. The Si–O bond length is 1.65 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two equivalent Ge4+ and one Si4+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ge4+ and two equivalent Si4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.